1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole

C14H23N — CID 64743596

IUPAC1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole
SMILESCCC1CCCC(n2c(C)ccc2C)C1
InChIInChI=1S/C14H23N/c1-4-13-6-5-7-14(10-13)15-11(2)8-9-12(15)3/h8-9,13-14H,4-7,10H2,1-3H3
InChIKeyQMSWRQFFGIJEIR-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.25
Rot. Bonds2

About 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole

1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole (PubChem CID 64743596) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole
PubChem CID64743596
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole
SMILESCCC1CCCC(n2c(C)ccc2C)C1
InChIInChI=1S/C14H23N/c1-4-13-6-5-7-14(10-13)15-11(2)8-9-12(15)3/h8-9,13-14H,4-7,10H2,1-3H3
InChIKeyQMSWRQFFGIJEIR-UHFFFAOYSA-N
XLogP4.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
3-(3-ethylcyclohexyl)-7-fluoro-1H-benzimidazole-2-thione
CID 64742640
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole
CID 79785631
1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
CID 79543288
3-(3-ethylcyclohexyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83266710
5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 64743405
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
CID 144886153
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
CID 126703648

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole (CID 64743596) is 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole is CCC1CCCC(n2c(C)ccc2C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole?
The InChIKey is QMSWRQFFGIJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-13-6-5-7-14(10-13)15-11(2)8-9-12(15)3/h8-9,13-14H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole?
1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole has a molecular weight of 205.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 64743596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).